AMBER: installing pmemd with fftw

From: YangMingjun <>
Date: Sun, 13 Apr 2008 21:07:44 +0800

Dear all,

   I have some questions when installing amber9 with pmemd.
1. when amber was compiled with parallel, should the pmemd be compiled with parallel too?
2. when compiling the parallel version of pmemd with fftw, must the fftw be compiled in parallel version first? Can I compile the parallel pmemd with serial fftw?
3. Should I use the same mpi library to compile the amber, pmemd and fftw?
4. In fftw3.1.2 and fftw3.0.1, I can't find an option for mpi(e.g. mpich) in "configure" file. In that case, how do I compile pmemd with parallel fftw?

Any suggestion is greatly appreciated.
Thanks in advance.
Have a nice day.


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Received on Fri Apr 18 2008 - 21:19:01 PDT
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